benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate

C32H26N6O6 — CID 175682826

About benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate

benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (PubChem CID 175682826) has the molecular formula C32H26N6O6 and a molecular weight of 590.60 g/mol. Its IUPAC name is benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
• PubChem CID: 175682826
• Molecular Formula: C32H26N6O6
• Molecular Weight: 590.60 g/mol
• Exact Mass: 590.19
• IUPAC Name: benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
• SMILES: Cc1ccc(-c2noc(C3CN(C(=O)OCc4ccccc4)C3)n2)cc1NC(=O)c1cnc(-c2ccc3c(c2)NC(=O)C3)o1
• InChI: InChI=1S/C32H26N6O6/c1-18-7-8-21(28-36-31(44-37-28)23-15-38(16-23)32(41)42-17-19-5-3-2-4-6-19)11-24(18)35-29(40)26-14-33-30(43-26)22-10-9-20-13-27(39)34-25(20)12-22/h2-12,14,23H,13,15-17H2,1H3,(H,34,39)(H,35,40)
• InChIKey: JASKWTPYGXFGJM-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 152.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.60
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?

The IUPAC name of benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (CID 175682826) is benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate.

What is the SMILES notation for benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?

The canonical SMILES for benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is Cc1ccc(-c2noc(C3CN(C(=O)OCc4ccccc4)C3)n2)cc1NC(=O)c1cnc(-c2ccc3c(c2)NC(=O)C3)o1.

What is the InChIKey of benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?

The InChIKey is JASKWTPYGXFGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N6O6/c1-18-7-8-21(28-36-31(44-37-28)23-15-38(16-23)32(41)42-17-19-5-3-2-4-6-19)11-24(18)35-29(40)26-14-33-30(43-26)22-10-9-20-13-27(39)34-25(20)12-22/h2-12,14,23H,13,15-17H2,1H3,(H,34,39)(H,35,40).

What are the key properties of benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?

benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate has a molecular weight of 590.60 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 3-[3-[4-methyl-3-[[2-(2-oxo-1,3-dihydroindol-6-yl)-1,3-oxazole-5-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is sourced from PubChem (CID 175682826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).